1,1'-Ethylidenebistryptophan (CHEBI:172675)

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CHEBI:172675 - 1,1'-Ethylidenebistryptophan

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ChEBI ID	CHEBI:172675
ChEBI Name	1,1'-Ethylidenebistryptophan
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C24H26N4O4
Net Charge	0
Average Mass	434.496
Monoisotopic Mass	434.19541
SMILES	CC(n1cc(CC(N)C(=O)O)c2ccccc21)n1cc(CC(N)C(=O)O)c2ccccc21
InChI	InChI=1S/C24H26N4O4/c1-14(27-12-15(10-19(25)23(29)30)17-6-2-4-8-21(17)27)28-13-16(11-20(26)24(31)32)18-7-3-5-9-22(18)28/h2-9,12-14,19-20H,10-11,25-26H2,1H3,(H,29,30)(H,31,32)
InChIKey	DETVQFQGSVEQBH-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	blood plasma (BTO:0000131)	MetaboLights (MTBLS2633)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	1,1'-Ethylidenebistryptophan (CHEBI:172675) is a indolyl carboxylic acid (CHEBI:46867)

IUPAC Name
2-amino-3-[1-[1-[3-(2-amino-2-carboxyethyl)indol-1-yl]ethyl]indol-3-yl]propanoic acid

Manual Xrefs	Databases
HMDB0034899	HMDB
3128372	ChemSpider